1809-0228 Screening compound: 4-{2,2-dimethyl-4-oxo-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-5-yl}benzonitrile

1809-0228 Screening compound: 4-{2,2-dimethyl-4-oxo-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-5-yl}benzonitrile
1809-0228 Screening compound: 4-{2,2-dimethyl-4-oxo-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-5-yl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1809-0228
4-{2,2-dimethyl-4-oxo-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-5-yl}benzonitrile

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

1809-0228

Molecular Formula

C26H22N2O (C26 H22 N2 O)

Compound Name

4-{2,2-dimethyl-4-oxo-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-5-yl}benzonitrile

IUPAC name

4-{22-dimethyl-4-oxo-1H2H3H4H5H6H-benzo[a]phenanthridin-5-yl}benzonitrile

SMILES

CC(C)(CC1=C2C(c(cc3)ccc3C#N)Nc3c1c1ccccc1cc3)CC2=O

InChI

InChI=1S/C26H22N2O/c1-26(2)13-20-23-19-6-4-3-5-17(19)11-12-21(23)28-25(24(20)22(29)14-26)18-9-7-16(15-27)8-10-18/h3-12,25,28H,13-14H2,1-2H3/t25-/m0/s1

InChI Key

WXBXSFSCEIBENK-VWLOTQADSA-N

MDL Number (MFCD)

MFCD01029789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.157

Distribution Coefficient, logD

5.157

Water Solubility, LogSw

-6.05

Polar Surface Area

41.988

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

-4.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

1809-0228 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1809-0228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1809-0228?
Check Price and Availability of 1809-0228, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1809-0228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1809-0228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1809-0228
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 1809-0228 available by request